2-(aminocarbonylamino)-N-[(3S)-azepan-3-yl]-5-[4-(2-diethylaminoethyloxy)phenyl]thiophene-3-carboxamide

Systemtic Name: 2-(aminocarbonylamino)-N-[(3S)-azepan-3-yl]-5-[4-(2-diethylaminoethyloxy)phenyl]thiophene-3-carboxamide Openeye Name: N-[(3S)-azepan-3-yl]-5-[4-(2-diethylaminoethyloxy)phenyl]-2-ureido-thiophene-3-carboxamide CAS Name: N-[(3S)-3-azepanyl]-2-(carbamoylamino)-5-[4-(2-diethylaminoethyloxy)phenyl]-3-thiophenecarboxamide IUPAC Name: N-[(3S)-azepan-3-yl]-2-(carbamoylamino)-5-[4-(2-diethylaminoethyloxy)phenyl]thiophene-3-carboxamide Traditional Name: N-[(3S)-azepan-3-yl]-5-[4-(2-diethylaminoethyloxy)phenyl]-2-ureido-thiophene-3-carboxamide Formula: C24H35N5O3S MolecularWeight: 473.6314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)N)C(=O)NC3CCCCNC3

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N[C@H]3CCCCNC3

InChI

InChI=1S/C24H35N5O3S/c1-3-29(4-2)13-14-32-19-10-8-17(9-11-19)21-15-20(23(33-21)28-24(25)31)22(30)27-18-7-5-6-12-26-16-18/h8-11,15,18,26H,3-7,12-14,16H2,1-2H3,(H,27,30)(H3,25,28,31)/t18-/m0/s1