1-[3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(4-morpholinosulfonylphenyl)prop-2-enoylamino]thiourea CAS Name: 1-[[3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoylamino]thiourea Traditional Name: 1-benzyl-3-[[3-(4-morpholinosulfonylphenyl)acryloyl]amino]thiourea Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4S2/c26-20(23-24-21(30)22-16-18-4-2-1-3-5-18)11-8-17-6-9-19(10-7-17)31(27,28)25-12-14-29-15-13-25/h1-11H,12-16H2,(H,23,26)(H2,22,24,30)