1-[4-(azepan-1-ylsulfonyl)phenyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-(azepan-1-ylsulfonyl)phenyl]thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-(azepan-1-ylsulfonyl)phenyl]thiourea Formula: C16H23N3O2S2 MolecularWeight: 353.50272

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H23N3O2S2/c1-2-11-17-16(22)18-14-7-9-15(10-8-14)23(20,21)19-12-5-3-4-6-13-19/h2,7-10H,1,3-6,11-13H2,(H2,17,18,22)