1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[3-(dimethylamino)propyl]thiourea

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[3-(dimethylamino)propyl]thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[3-(dimethylamino)propyl]thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-[3-(dimethylamino)propyl]thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-[3-(dimethylamino)propyl]thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[3-(dimethylamino)propyl]thiourea Formula: C19H32N4O3S2 MolecularWeight: 428.61238

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CN(C)CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C19H32N4O3S2/c1-22(2)12-8-11-20-19(27)21-17-15-16(9-10-18(17)26-3)28(24,25)23-13-6-4-5-7-14-23/h9-10,15H,4-8,11-14H2,1-3H3,(H2,20,21,27)