(4S,5R)-4-(2-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-6-methylidene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5R)-4-(2-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-6-methylidene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-N-benzyl-4-(2-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-6-methylene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-N-benzyl-4-(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-N-benzyl-4-(2-bromo-5-ethoxy-4-propargyloxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C24H24BrN3O3S MolecularWeight: 514.43466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)Br)OCC#C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)Br)OCC#C

InChI

InChI=1S/C24H24BrN3O3S/c1-4-11-31-20-13-18(25)17(12-19(20)30-5-2)22-21(15(3)27-24(32)28-22)23(29)26-14-16-9-7-6-8-10-16/h1,6-10,12-13,21-22H,3,5,11,14H2,2H3,(H,26,29)(H2,27,28,32)/t21-,22+/m0/s1